SCHEMBL17209261

SCHEMBL17209261

COc1cc(CNC(=O)NCCc2cc3ccccc3s2)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.53
TRPV1 Q8NER1 5/20 0.50
ALDH1A1 P00352 1/20 0.48
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17202890 0.87 TRPV1 (0.62) TRPV1ALDH1A1
SCHEMBL17209263 0.85 CASR (0.54) NAMPTALDH1A1
SCHEMBL17209265 0.82 EPHX1 (0.49) NAMPTTRPV1
SCHEMBL17209264 0.80 MAPT (0.50) NAMPTTRPV1ALDH1A1
SCHEMBL17209262 0.80 TRPV1 (0.47) TRPV1ALDH1A1
SCHEMBL2846746 0.77 TRPV1 (0.69) TRPV1ALDH1A1
SCHEMBL17202845 0.75 TRPV1 (0.76) TRPV1ALDH1A1MTNR1AMTNR1B
SCHEMBL17203184 0.74 TRPV1 (0.76) TRPV1ALDH1A1MTNR1AMTNR1B
SCHEMBL1806012 0.73 CYP2A6 (0.50) NAMPT
SCHEMBL6567251 0.73 ALDH1A1 (0.70) TRPV1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015162216-A1 BIARYL AMIDE OR UREA DERIVATIVES AS TRPV1 LIGANDS UNIVERSITA' DEGLI STUDI DI SIENA (IT) 2015-10-29 WO disclosed